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All sources NASA NTRS DOE OSTI

DOE OSTI2023

Transmission electron microscopy of the rapid solidification microstructure evolution and solidification interface velocity determination in hypereutectic Al-20at.%Cu after laser melting

The evolution of rapid solidification (RS) microstructure and solidification interface velocity has been studied experimentally by in-situ transmission electron microscopy and postmortem characterization for hypereutectic Al-20at.%Cu (37 wt.%Cu) after laser melting. Four morphologically distinct regions formed via growth modes changing from θ-Al 2 Cu phase dendrites to eutectic cell growth, possibly α-Al dendrite growth (α-cell), banded growth, and α-Al plane front growth. Tendency for faceting and low capacity for solute trapping limited the θ-phase dendrite growth to solidification interface velocity v < 0.07 m/s. Consequently, formation of pro-eutectic micro-constituent was suppressed, and RS microstructure formation was dominated by eutectic, α-cell, and banded morphology grains for the Al-20at.%Cu alloy. Eutectic growth operated for interface velocity of 0.1 m/s ≤ v < 0.3 m/s, with a transition from regular lamellar, 2-λ and 1-λ mode to a dense irregular morphology dominated by α-phase at v = 0.3 m/s. Interface temperature calculations indicated feasibility of α-cell growth mode for 0.3 m/s ≤ v < 0.7 m/s. Banded growth occurred for 0.7 m/s ≤ v < 1.3 m/s. Plane front α-phase growth was evident for interface velocities v ≥ 1.3 m/s. Previous work on rapid solidification microstructure development in hypereutectic Al-Cu alloys reported a regime of α-cell growth subsequently to eutectic and prior to transition to banded growth for Al-19at.%Cu (36 wt.%Cu), while for Al-22at.%Cu (40 wt.%Cu) eutectic growth transitioned directly to α-plane front growth without emergence of a banded regime. Finally, based on the current study the disappearance of the banded growth regime occurs for a composition larger than 20at.%Cu.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Interface velocity dependent solute trapping and phase selection during rapid solidification of laser melted hypo-eutectic Al-11at.%Cu alloy

Microstructure formation of a hypo-eutectic Al-11Cu (atom percent) alloy during solidification after laser melting has been studied by transmission electron microscopy (TEM). The evolution of the solid-liquid-interface velocity, V SL , during the solidification process has been determined from direct observation by in-situ TEM. This enabled correlating V SL with development of four distinct microstructure zones. Crystal growth mode transitions from planar to cellular, cellular to dendritic, dendritic to cellular, and cellular to planar, have been observed for the accelerating solid-liquid-interface. The transition from coupled two-phase growth to the single-phase growth occurred for V SL = V a = (0.80±0.05) m/s, where V a is the velocity of absolute stability, at the onset of banded morphology grain formation. The in-situ and post-mortem TEM uniquely permitted determination of the non-equilibrium solidus for the rapidly solidifying Al-11Cu alloy. Experimental evidence for solute clustering and chemical ordering tendencies at length scales on the order of ≤ 5nm has been detected in the single-phase regions of the banded grains. The structural features of the single-phase bands have been interpreted as signatures of ‘frozen in’ configurations present in the liquid boundary layer adjacent to the growing crystal, which has a width of about 3nm. Finally, the nano-scale spatiotemporal resolution experimental TEM studies performed here provided quantitative metrics, e.g. the solidification interface velocity dependent solute concentration of the α-Al phase and the near-atomic scale structure in the single-phase bands, that are uniquely suitable for comparison with theory and model predictions for solidification microstructure development in multicomponent alloys after laser melting.

36 MATERIALS SCIENCE↗

NASA NTRS1974

Microwave interferometry technique for obtaining gas interface velocity measurements in an expansion tube facility

A microwave interferometer technique to determine the front interface velocity of a high enthalpy gas flow, is described. The system is designed to excite a standing wave in an expansion tube, and to measure the shift in this standing wave as it is moved by the test gas front. Data, in the form of a varying sinusoidal signal, is recorded on a high-speed drum camera-oscilloscope combination. Measurements of average and incremental velocities in excess of 6,000 meters per second were made.

Laney, C. C., Jr.↗

DOE OSTI2022

A Phase-Field Model for In-Space Manufacturing of Binary Alloys

The integrity of the final printed components is mostly dictated by the adhesion between the particles and phases that form upon solidification, which is a major problem in printing metallic parts using available In-Space Manufacturing (ISM) technologies based on the Fused Deposition Modeling (FDM) methodology. Understanding the melting/solidification process helps increase particle adherence and allows to produce components with greater mechanical integrity. We developed a phase-field model of solidification for binary alloys. The phase-field approach is unique in capturing the microstructure with computationally tractable costs. The developed phase-field model of solidification of binary alloys satisfies the stability conditions at all temperatures. The suggested model is tuned for Ni-Cu alloy feedstocks. We derived the Ginzburg-Landau equations governing the phase transformation kinetics and solved them analytically for the dilute solution. We calculated the concentration profile as a function of interface velocity for a one-dimensional steady-state diffuse interface neglecting elasticity and obtained the partition coefficient, k, as a function of interface velocity. Numerical simulations for the diluted solution are used to study the interface velocity as a function of undercooling for the classic sharp interface model, partitionless solidification, and thin interface.

36 MATERIALS SCIENCE↗

DOE OSTI2023

A level-set immersed boundary method for reactive transport in complex topologies with moving interfaces

A simulation framework based on the level-set and the immersed boundary methods (LS-IBM) has been developed for reactive transport problems in porous media involving a moving solid-fluid interface. The interface movement due to surface reactions is tracked by the level-set method, while the immersed boundary method captures the momentum and mass transport at the interface. The proposed method is capable of accurately modeling transport near evolving boundaries in Cartesian grids. The framework formulation guarantees second order accuracy in space. Since the interface velocity is only defined at the moving boundary, an interface velocity propagation method is also proposed. The method can be applied to other moving interface problems of the “Stefan” type. Here, we validate the proposed LS-IBM both for flow and transport close to an immersed object with reactive boundaries as well as for crystal growth. Lastly, the proposed method provides a powerful tool to model more realistic problems involving moving reactive interfaces in complex domains.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRSDate not supplied

Development and Validation of a Slosh-Based Ullage Collapse Model

Ullage collapse modeling is an essential tool for the success of spacecraft powered by cryogenic propellants. The degree of ullage collapse can have a major impact on the design of cryogenic propellant tanks as well as the mission’s concept of operations. Additional commodities (e.g., helium gas for pressure control) and their quantities are dependent on the amount of heat transfer and phase change of propellants expected during flight. Currently, high-fidelity computational fluid dynamics (CFD) with heat transfer and phase change is the most accurate method for predicting ullage collapse. CFD simulations of this kind, however, can become very costly for problems requiring large domains, long simulation times, or significant liquid motion. Consequently, there is a need for a reduced order model to provide fast responses which can be used in engineering design decisions. The proposed numerical model is a nodal approach, augmented by outputs from CFD analyses that are generated rapidly and reliably. These outputs include transient values for liquid-vapor interface area, interface velocity, and liquid position using a volume of fluid (VoF) method. There are several benefits of combining a nodal approach with slosh predictions from CFD simulations: leveraging of the Loci/STREAM-VoF solver that has been validated in high-g and low-g environments, rapid modeling of VoF with isothermal propellant simplifications and relatively coarse meshes, and improved model predictions from the nodal tool. The nodal approach, informed by the slosh predictions from CFD, assumes uniform conditions in the liquid and gas domains. Modifications to account for temperature stratification in the liquid and gas may be implemented as a future improvement. Thermodynamic changes within the tank are solved at user-defined timesteps. First, impacts due to mass entering or leaving the control volume are captured. Second, heat transfer impacts are accounted for by tracking the volume of the gas which has been contacted by liquid in that timestep and rebalancing the internal energy. Finally, phase change is approximated using the area and velocity of the interface. The tank conditions are re-computed by conserving mass and energy. Calibration of the model to several test flights and experiments are required to baseline the predictive power and uncertainty. The final product will enable designers and engineers to create quick-turnaround predictions for ullage collapse and inform design feasibility.

Computational Fluid Dynamics↗

DOE OSTI2020

Inertial dynamics of an interface with interfacial mass flux: Stability and flow fields’ structure, inertial stabilization mechanism, degeneracy of Landau’s solution, effect of energy fluctuations, and chemistry-induced instabilities

This work focuses on the long-standing problem of inertial dynamics of an interface with interfacial mass flux and reports new mechanisms for the interface stabilization and destabilization. The interface is a phase boundary separating fluids of different densities and having interfacial mass flux. To analyze the interface dynamics from a far field, we develop and apply the general matrix method to rigorously solve the boundary value problem involving the governing equations in the fluid bulk and the boundary conditions at the interface and at the outside boundaries of the domain. We find the fundamental solutions for the linearized system of equations and analyze the interplay of interface stability with flow fields’ structure by directly linking rigorous mathematical attributes to physical observables. We find that the interface is stable when the dynamics conserves the fluxes of mass, momentum, and energy; the stabilization is due to an inertial mechanism causing small oscillations of the interface velocity. In the classic Landau’s dynamics, the postulate of perfect constancy of the interface velocity leads to the development of Landau–Darrieus instability. This destabilization is also linked to the imbalance of the perturbed energy at the interface. The classic Landau’s solution is found to have degeneracy; lifting of the degeneracy may lead to singularity and self-similar dynamics. Our results compare well with traditional theories of combustion and propose new experiments to study the dynamics of the interface and the flow fields in combustible systems. We further conduct reactive molecular dynamics simulations to elucidate the complexity of chemical processes, to study the destabilizing effect of energy fluctuations on the interface stability, and to illustrate the chemistry-induced instabilities. In summary, we identify the extreme sensitivity of the interface dynamics to the interfacial boundary conditions, including the formal properties of fundamental solutions and the qualitative and quantitative properties of the flow fields. This provides new opportunities for studies, diagnostics, and control of multiphase flows in a broad range of processes in nature and technology.

42 ENGINEERING↗

NASA NTRS1983

Methane flux across the air-water interface - Air velocity effects

Methane loss to the atmosphere from flooded wetlands is influenced by the degree of supersaturation and wind stress at the water surface. Measurements in freshwater ponds in the St. Marks Wildlife Refuge, Florida, demonstrated that for the combined variability of CH4 concentrations in surface water and air velocity over the water surface, CH4 flux varied from 0.01 to 1.22 g/sq m/day. The liquid exchange coefficient for a two-layer model of the gas-liquid interface was calculated as 1.7 cm/h for CH4 at air velocity of zero and as 1.1 + 1.2 v to the 1.96th power cm/h for air velocities from 1.4 to 3.5 m/s and water temperatures of 20 C.

Sebacher, D. I.↗

DOE OSTI2023

Polyimide dynamically compressed to decomposition pressures: Two-wave structures captured by velocimetry and modeling

We performed a series of six plate impact experiments on polyimide and modeled them using new reactant and products equations of state combined with an Arrhenius rate model. The first experiment was diagnosed with embedded electromagnetic velocity gauges through which we directly observed attenuation of the lead shock to an approximately constant state over a propagation distance of roughly 4 mm. Simulated gauge profiles were in excellent qualitative agreement with experiment and suggested a sluggish chemical reaction that did not proceed to completion. The remaining five experiments were conducted in a transmission geometry and diagnosed velocimetrically at the sample/window interface. All five of these yielded profiles with a sharp shock followed by a more gradual approach to maximum interface velocity that was “rounded” to varying degree. These profiles proved difficult to interpret unambiguously due to the convolution of the reactive wave upon first shock with reflection of the lead wave and reshock or release by the window. Comparison with thermochemical calculations strongly suggests that the point of maximum interface velocity corresponds to the equilibrium reshock or release locus. We discuss the implications of this point for the practice of impedance matching based on the reflected Hugoniot of reactive materials such as polymers. The reactant and thermochemical products equations of state are developmental SESAME tables 97710 and 97720, respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Microstructure development during rapid alloy solidification

Abstract Solidification processing of structural alloys can take place over an extremely wide range of solid–liquid interface velocities spanning six orders of magnitude, from the low-velocity constitutional supercooling limit of microns/s to the high-velocity absolute stability limit of m/s. In between these two limits, the solid–liquid interface is morphologically unstable and typically forms cellular-dendritic microstructures, but also other microstructures that remain elusive. Rapid developments in additive manufacturing have renewed the interest in modeling the high-velocity range, where approximate analytical theories provide limited predictions. In this article, we discuss recent advances in phase-field modeling of rapid solidification of metallic alloys, including a brief description of state-of-the-art experiments used for model validation. We describe how phase-field models can cope with the dual challenge of carrying out simulations on experimentally relevant length- and time scales and incorporating nonequilibrium effects at the solid–liquid interface that become dominant at rapid rates. We present selected results, illustrating how phase-field simulations have yielded unprecedented insights into high-velocity interface dynamics, shedding new light on both the absolute stability limit and the formation of banded microstructures that are a hallmark of rapid alloy solidification near this limit. We also discuss state-of-the-art experiments used to validate those insights. Graphical abstract

36 MATERIALS SCIENCE↗

NASA NTRS2001

In Situ Monitoring of Crystal Growth Using Mephisto

Experiments were carried out to study the morphological stability of Bi-1atomic% Sn alloys using the MEPHISTO directional solidification apparatus aboard Space Shuttle Columbia (STS-87, launched November 19, 1997). The research program involved collaboration of the University of Florida, Centre National d'Etudes Spatiales (France), NASA/Glenn Research Center, the National Institute of Standards and Technology, and the University of New South Wales (Australia). The experiments made use of the Seebeck technique to measure the interface temperature, the resistance change across the sample for determination of the interface velocity, and Peltier current pulsing for demarcation of the interface shape. These data were obtained in real-time during various melting/solidification cycles, and the experiments were controlled via telecommands. The Seebeck signal and temperature measurements in the space experiments, as well as morphological behavior of the solid/liquid interface, were found to be significantly different than those obtained from ground-based studies. For the space-based experiments, interface breakdown was observed at growth velocities of 6.7, 27, and 40 micrometers/s, but not at 1.8 and 3.3 micrometers/s. The results further indicate that the morphological stability threshold for some grain orientations is significantly enhanced, resulting in a staggered planar to cellular transition front. This report summarizes some of these findings.

Abbaschian, Reza↗

NASA NTRS1988

The influences of convection on directional solidification of eutectic Bi/MnBi

Eutectic alloys of Bi-Mn were directionally solidified using the Bridgman-Stockbarger technique to determine the influences of gravitationally-driven thermo-solutal convection on the Bi-MnBi rod eutectic. Experiments were conducted that varied the level of convection by varying the growth parameters and growth orientation, by microgravity damping, by applied magnetic field damping, and by imposing forced convection. Peltier interface demarcation and in situ thermocouple measurements were used to monitor interface velocity and thermal gradient and to evaluate interface planarity.

Larson, David J., Jr.↗

NASA NTRS1999

Numerical Modeling and In-Situ Observations of the Dynamics of the Solid/Liquid Interface Morphology During Directional Solidification of Alloys

The departure from interface planarity and the subsequent evolution to a periodic array of cells or dendrites is a fundamental process that characterizes most microstructures in solidified alloys. The growing demand for high quality alloys and semiconductor crystals requires a precise methodology to predict and subsequently control both the interface morphology and the distribution of impurities, additives, and phases in the grown crystal. Apart from its practical significance, the study of morphological evolution has also been viewed as a means to unearth a general paradigm for pattern formation in nature. A previously developed 2D numerical model for the solid/liquid interface tracking has been further refined and used to simulate the time-evolution of the perturbations on the interface. The dynamics of the local growth velocity, interface undercooling and solute concentration at the interface has been theoretically predicted by means of the numerical model for Al-Cu and Pb-Sn alloys. The model shows that perturbations with a wavelengths, lambda greater than a critical wavelength lambda(sub c) continue to grow in time whereas perturbations with lambda < lambda(sub c) cease to propagate. The model further predicts that under certain conditions perturbation can also propagate along the interface. Comparison of these predictions with existing theories of pattern formation and experimental results will be discussed.

Catalina, Adrian V.↗

NASA NTRSDate not supplied

Validation of Cryogenic Propellant Tank Self-Pressurization by Leveraging Reduced Order Modeling within Computational Fluid Dynamics Simulation

Validation of cryogenic propellant tank self-pressurization was performed using a hybrid Computational Fluid Dynamics (CFD) and reduced order modeling methodology. Data from a liquid hydrogen ground test conducted at the K-site facility at the National Aeronautics and Space Administration (NASA) Glenn Research Center was used for the validation effort. Liquid phase dynamics were explicitly resolved with a CFD tool. Vapor phase dynamics were modeled as a point mass that communicated heat from the tank wall to the liquid phase via a boundary condition used at the gas-liquid interface. The method proved to be more accurate, robust, and efficient than explicit resolution of the dynamics using a standard Volume of Fluid (VOF) methodology. The subject pressurization process was found to be heavily dependent upon both the relatively high liquid temperature gradient near the gas-liquid interface and the natural convection flow path. Modeling the gas-liquid interface as an immovable surface eliminated temperature gradient destroying gas-liquid interface velocities observed in VOF simulations, and correspondingly enabled more rapid simulation since interface advection was not allowed. The single phase computational domain also facilitated the ability to demonstrate spatial resolution convergence of natural convection cells within the liquid which significantly impacted the tank pressurization rate. This work was used to demonstrate the critical physics for tank self-pressurization and numerical methodologies that may be used to best resolve those physics. The findings informed development and operation of production level CFD tools used in the Fluid Dynamics Branch at NASA Marshall Space Flight Center.

J. M. Brodnick↗

NASA NTRS1987

Thermal stability effects on the structure of the velocity field above an air-water interface

Mean velocity and turbulence measurements are described for turbulent flows above laboratory water waves, under various wind and thermal stratification conditions. Experimental results, when presented in the framework of Monin-Obukhov (1954) similarity theory, support local scaling based on evaluation of stratification effects at the same nondimensional distance from the mean water surface. Such scaling allows an extension of application of the above theory to the outer region of the boundary layer. Throughout the fully turbulent region, ratios of mean velocity gradients, eddy viscosities, and turbulence intensities under nonneutral and neutral conditions correlate well with the parameter z/Lambda (Lambda being a local Obukhov length and z the vertical coordinate of the mean air flow) and show good agreement with established field correlations. The influence of stratification on the wind-stress coefficient can be estimated from an empirical relationship in terms of its value under neutral conditions and a bulk Richardson number.

Papadimitrakis, Y. A.↗

DOE OSTI2024

Design of a Three-Layer Impactor for Material Strength Measurements at Multi-Megabar Pressures

Off-Hugoniot loading methods for dynamic compression have been a topic of interest for many years as a means of accessing high pressures without melting a material. Simulations and an initial test experiment of a three-layer gas-gun impactor suitable for use in measuring dynamic material strength at multi-megabar pressures are described. As shown through ARES hydrocode simulations, an impactor consisting of a low-, medium-, and high-impedance material, such as TPX, Al, and Ta or Pt, can produce a quasi-isentropic loading path up to 4.6 Mbar pressure with a low homologous temperature (T/T melt = 0.1–0.25). These impactors can also be tailored to create a pressure drive suitable for a Lagrangian sound speed experiment. Simulated in-situ velocities were analyzed to determine the change in calculated strength due to non-uniformity in the impactor, which provides a measure of error sensitivity. An initial test of a three-layer projectile onto a flat target at 4.4 km/s impact velocity is reported. Finally, while the impactor incurred some delamination during firing, the measured sample/window interface velocity generally agrees with the simulated peak velocity and subsequent release, indicating the feasibility of this approach for measuring material strength.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Phase Selection During Solidification and Solid-State Phase Transformations in an Al-10Ce-8Mn (wt pct) Alloy

In multicomponent Al-Ce alloys, and especially after additive manufacturing (AM), complex and metastable solidification microstructures are frequently observed. Here, in this research, the relationship between solidification conditions and phase selection are explored for an Al-10Ce-8Mn (wt pct) alloy using a systematic study of laser melting conditions. Three solidification modes were observed: primary Al 10 Mn 2 Ce; primary Al 20 Mn 2 Ce; and eutectic FCC Al + Al 20 Mn 2 Ce. These solidification modes were correlated to specific liquid-solid interface velocities using a simple thermal model, showing the change in primary solidification phase for low (< 6.8 × 10 −4 m/s), moderate (between 8.2 × 10 −4 and 5.9 × 10 −2 m/s) and high solidification velocities (> 6.2 x 10 −2 m/s) for the above three solidification microstructures, respectively. These results were rationalized by using interface response function (IRF) theory to describe the solidification undercooling for the possible primary intermetallic phases. The implication of the local phase selection from differing solidification conditions is summarized by a comparison of hardness which demonstrates the potential variance of Vickers hardness from 101 to 242 (VHV) by changing the laser velocity from 1 to 83 mm/s. Interestingly, on heat treatment at 400°C, the decomposition pathways of the solidification microstructure and hardness were also found to be different, thereby opening multiple pathways for spatial microstructure and property control within AM components.

Sisco, Kevin↗

NASA NTRS1995

Orientation and velocity dependence of the nonequilibrium partition coefficient

Monte Carlo simulations based on a Spin-1 Ising Model for binary alloys have been used to investigate the non-equilibrium partition coefficient (k(sub neq)) as a function of solid-liquid interface velocity and orientation. In simulations of Si with a second component k(sub neq) is greater in the [111] direction than the [100] direction in agreement with experimental results reported by Azlz et al. The simulated partition coefficient scales with the square of the step velocity divided by the diffusion coefficient of the secondary component in the liquid.

Beatty, K. M.↗